2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide

C23H30N2O — CID 59104361

IUPAC2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-18(2)24-22(26)17-25-15-13-21(14-16-25)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,23H,13-17H2,1-2H3,(H,24,26)
InChIKeyXMWIFTKYZRVHAX-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide

2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 59104361) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
PubChem CID59104361
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-18(2)24-22(26)17-25-15-13-21(14-16-25)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,23H,13-17H2,1-2H3,(H,24,26)
InChIKeyXMWIFTKYZRVHAX-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
CID 162078080
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
CID 58820394
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
N-[(1R)-1-cyclopropylethyl]-2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetamide
CID 95333663
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide (CID 59104361) is 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is XMWIFTKYZRVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18(2)24-22(26)17-25-15-13-21(14-16-25)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,23H,13-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide?
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 350.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 59104361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).